SCHEMBL3459872

SCHEMBL3459872

O=C(NCc1ccc(F)c(F)c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.65
ERCC4 Q92889 1/20 0.65
PPARG P37231 2/20 0.62
HDAC6 Q9UBN7 6/20 0.59
HDAC1 Q13547 5/20 0.59
EPHX2 P34913 2/20 0.57
NR1H4 Q96RI1 2/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 2/20 0.52
PTGER4 P35408 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31332476 0.85 ERCC1 (0.58) ERCC1ERCC4PPARGHDAC6HDAC1
SCHEMBL1568038 0.84 L3MBTL1 (0.70) PPARGEPHX2NR1H4
SCHEMBL507217 0.84 PPARG (0.56) ERCC1ERCC4PPARGHDAC6HDAC1
SCHEMBL20938003 0.83 TSHR (0.69) HDAC6HDAC1NPC1RAB9AHDAC2
SCHEMBL30613373 0.83 SMN1; SMN2 (0.67) ERCC1ERCC4NR1H4ALDH1A1PTGER4
SCHEMBL31377885 0.82 EPHX2 (0.60) ERCC1ERCC4PPARGHDAC6HDAC1
SCHEMBL3026463 0.82 HDAC6 (0.58) PPARGHDAC6HDAC1EPHX2NR1H4
SCHEMBL1155517 0.81 ALDH1A1 (0.72) ERCC1ERCC4HDAC6HDAC1EPHX2
SCHEMBL11901042 0.81 HDAC6 (0.70) ERCC1ERCC4PPARGHDAC6HDAC1
SCHEMBL3569391 0.81 P2RX7 (0.49) PPARGEPHX2NR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 ERCC1 1909/4885ERCC4 1791/4885PPARG 2600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.